SCHEMBL84217

SCHEMBL84217

C=CC[C@@H](C(=O)O)N1C(=O)c2ccccc2C1=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.62
GAA P10253 2/20 0.62
POLB P06746 4/20 0.60
KDM4E B2RXH2 1/20 0.60
TP53 P04637 1/20 0.60
GLA P06280 1/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2D6 P10635 1/20 0.60
HPGD P15428 1/20 0.60
ALOX12 P18054 1/20 0.60
NFKB1 P19838 1/20 0.60
APEX1 P27695 1/20 0.60
MAPK1 P28482 1/20 0.60
HSD17B10 Q99714 1/20 0.60
DNMT1 P26358 5/20 0.52
L3MBTL1 Q9Y468 2/20 0.51
HIF1A Q16665 1/20 0.51
KMT2A Q03164 2/20 0.49
PKM P14618 2/20 0.49
CYP2C19 P33261 2/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3721573 1.00 ALDH1A1 (0.62) ALDH1A1GAAPOLBKDM4ETP53
SCHEMBL8430475 0.83 ALDH1A1 (0.57) ALDH1A1GAAPOLBKDM4ETP53
SCHEMBL14445468 0.82 ALDH1A1 (0.46) ALDH1A1GAAPOLBKDM4ETP53
SCHEMBL2481122 0.82 ALDH1A1 (0.52) ALDH1A1GAAPOLBKDM4ETP53
SCHEMBL13293215 0.82 ALDH1A1 (0.52) ALDH1A1GAAPOLBKDM4ETP53
SCHEMBL6897300 0.81 ALDH1A1 (0.55) ALDH1A1GAAPOLBKDM4ETP53
SCHEMBL14433740 0.80 ALDH1A1 (0.66) ALDH1A1GAAPOLBKDM4ETP53
SCHEMBL13589994 0.80 ALDH1A1 (0.66) ALDH1A1GAAPOLBKDM4ETP53
SCHEMBL14588651 0.80 ALDH1A1 (0.66) ALDH1A1GAAPOLBKDM4ETP53
SCHEMBL7429057 0.80 ALDH1A1 (0.70) ALDH1A1GAAPOLBKDM4ETP53

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2091926-B1 SUBSTITUTED PYRAZOLE AND TRIAZOLE COMPOUNDS AS KSP INHIBITORS NOVARTIS AG (CH) 2015-10-21 EP disclosed
EP-2457896-A1 Tripeptides as caspase modulators Idun Pharmaceuticals, Inc. (US) 2012-05-30 EP disclosed
EP-2457895-A1 Tetrapeptide analogs Idun Pharmaceuticals, Inc. (US) 2012-05-30 EP disclosed
US-8129358-B2 Substituted pyrazole and triazole compounds as KSP inhibitors NOVARTIS AG (CH) 2012-03-06 US disclosed
US-8129358-B2 Substituted pyrazole and triazole compounds as KSP inhibitors NOVARTIS AG (CH) 2012-03-06 US disclosed
EP-1912972-B1 SUBSTITUTED IMIDAZOLE COMPOUNDS AS KSP INHIBITORS NOVARTIS AG (CH) 2011-09-28 EP disclosed
US-7902240-B2 Kinesin spindle protein (KSP); anticancer agents; antiproliferative agents; e.g. N-((S)-3-amino-4-fluorobutyl)-N ((R)-1-(1-benzyl-3-(2,5-difluorophenyl)-1H-1,2,4-triazol-5-yl)-2,2-dimethylpropyl)nicotinamide NOVARTIS AG (CH) 2011-03-08 US disclosed
US-7902240-B2 Kinesin spindle protein (KSP); anticancer agents; antiproliferative agents; e.g. N-((S)-3-amino-4-fluorobutyl)-N ((R)-1-(1-benzyl-3-(2,5-difluorophenyl)-1H-1,2,4-triazol-5-yl)-2,2-dimethylpropyl)nicotinamide NOVARTIS AG (CH) 2011-03-08 US disclosed
US-20100190688-A1 Tetrapeptide analogs IDUN PHARMACEUTICALS, INC. 2010-07-29 US disclosed
US-20100190688-A1 Tetrapeptide analogs IDUN PHARMACEUTICALS, INC. 2010-07-29 US disclosed
CN-1039008-C Dual action inhibitors SQUIBB & SONS INC (US) 1998-07-08 CN disclosed
US-5723602-A ANGIOTENSIN CONVERTING ENZYME AND ENDOPEPTIDASE INHIBITORS, CARDIOVASCULAR DISORDERS E. R. SQUIBB & SONS, INC. (US) 1998-03-03 US disclosed
US-5723457-A COMPOUMDS FOR CARDIOVASCULAR DISORDERS AND INHIBITORS OF ANGIOTENSIN CONVERTING ENZYMES E. R. SQUIBB & SONS, INC. (US) 1998-03-03 US disclosed
EP-0599444-B1 Dual action inhibitors SQUIBB & SONS INC (US) 1998-01-28 EP disclosed
US-5654294-A CARDIOVASCULAR DISORDERS BRISTOL-MYERS SQUIBB (US) 1997-08-05 US disclosed
EP-0783002-A2 Dual action inhibitors E.R. SQUIBB & SONS, INC. (US) 1997-07-09 EP disclosed
US-5646276-A ANGIOTENSIN CONVERTING ENZYME AND NEUTRAL ENDOPEPTIDASE INHIBITORS; CARDIOVASCULAR DISORDERS BRISTOL-MYERS SQUIBB CO. (US) 1997-07-08 US disclosed
US-5552397-A HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1996-09-03 US disclosed
EP-0599444-A1 Dual action inhibitors E.R. SQUIBB & SONS, INC. (US) 1994-06-01 EP disclosed
CN-1084849-A Dual action inhibitors SQUIBB & SONS INC (US) 1994-04-06 CN disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100190688-A1 Tetrapeptide analogs TP53, PCNA, HRAS ALDH1A1 4425/4885GAA 2022/4885POLB 97/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.